4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C15H22F3N3 — CID 106747912

IUPAC4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(c1cc(C(F)(F)F)ncc1N)C1CCC(C)(C)CC1
InChIInChI=1S/C15H22F3N3/c1-14(2)6-4-10(5-7-14)21(3)12-8-13(15(16,17)18)20-9-11(12)19/h8-10H,4-7,19H2,1-3H3
InChIKeyZKRRYBPZQGGZDN-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.09
Rot. Bonds2

About 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747912) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747912
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCN(c1cc(C(F)(F)F)ncc1N)C1CCC(C)(C)CC1
InChIInChI=1S/C15H22F3N3/c1-14(2)6-4-10(5-7-14)21(3)12-8-13(15(16,17)18)20-9-11(12)19/h8-10H,4-7,19H2,1-3H3
InChIKeyZKRRYBPZQGGZDN-UHFFFAOYSA-N
XLogP4.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-(thiolan-3-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747275
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
CID 80653292
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747555
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747884
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747617
6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
CID 115474326
4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747912) is 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CN(c1cc(C(F)(F)F)ncc1N)C1CCC(C)(C)CC1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ZKRRYBPZQGGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-14(2)6-4-10(5-7-14)21(3)12-8-13(15(16,17)18)20-9-11(12)19/h8-10H,4-7,19H2,1-3H3.
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 301.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).